Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12160361 | 0.87 | ADORA2A (0.65) | ADORA2AADORA3ADORA1ADORA2BALDH1A1 | |
| SCHEMBL260417 | 0.86 | ADORA2A (0.59) | ADORA2AADORA3ADORA1ADORA2BALDH1A1 | |
| SCHEMBL12964118 | 0.84 | ADORA2A (0.64) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL280519 | 0.83 | ADORA2A (0.47) | ADORA2AADORA3ADORA1ADORA2BALDH1A1 | |
| SCHEMBL12935985 | 0.83 | ADORA2A (0.77) | ADORA2AADORA3ADORA1ADORA2BALDH1A1 | |
| SCHEMBL259431 | 0.79 | ADORA2A (0.74) | ADORA2AADORA3ADORA1ADORA2BHIF1A | |
| SCHEMBL259432 | 0.79 | ADORA2A (0.74) | ADORA2AADORA3ADORA1ADORA2BHIF1A | |
| SCHEMBL18172265 | 0.79 | ADORA3 (0.69) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL260821 | 0.79 | ADORA3 (0.68) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL260732 | 0.78 | ADORA3 (0.61) | ADORA2AADORA3ADORA1ADORA2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133880-B2 | Purine derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2012-03-13 | — | — | US | disclosed |
| EP-1802316-B1 | PURINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORP (US) | 2011-11-02 | — | — | EP | disclosed |
| US-20110059915-A1 | PURINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2011-03-10 | — | — | US | disclosed |
| US-7863253-B2 | Purine Derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110059915-A1 | PURINE DERIVATIVES AND METHODS OF USE THEREOF | PNP, NUDT1, HPRT1 | ADORA2A 4/4885ADORA3 26/4885ADORA1 22/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.